Receptor
PDB id Resolution Class Description Source Keywords
1URX 1.7 Å EC: 3.2.1.81 CRYSTALLOGRAPHIC STRUCTURE OF BETA-AGARASE A IN COMPLEX WITH OLIGOAGAROSE ZOBELLIA GALACTANIVORANS HYDROLASE BETA-AGARASE AGAROSE GLYCOSIDE HYDROLASE FAMILY 16 DOUBLE HELIX TWO BINDING-SITES
Ref.: PARALLEL SUBSTRATE BINDING SITES IN A BETA-AGARASE SUGGEST A NOVEL MODE OF ACTION ON DOUBLE-HELICAL AGAROSE STRUCTURE V. 12 623 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AAL GAL AAL GAL AAL GAL AAL A:1293;
Valid;
none;
submit data
1064.94 n/a O(C1O...
AAL GAL AAL GLA A:1289;
Valid;
none;
submit data
630.549 n/a O(C1O...
CA A:1300;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1URX 1.7 Å EC: 3.2.1.81 CRYSTALLOGRAPHIC STRUCTURE OF BETA-AGARASE A IN COMPLEX WITH OLIGOAGAROSE ZOBELLIA GALACTANIVORANS HYDROLASE BETA-AGARASE AGAROSE GLYCOSIDE HYDROLASE FAMILY 16 DOUBLE HELIX TWO BINDING-SITES
Ref.: PARALLEL SUBSTRATE BINDING SITES IN A BETA-AGARASE SUGGEST A NOVEL MODE OF ACTION ON DOUBLE-HELICAL AGAROSE STRUCTURE V. 12 623 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1URX - AAL GAL AAL GLA n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1URX - AAL GAL AAL GLA n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1URX - AAL GAL AAL GLA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AAL GAL AAL GAL AAL GAL AAL; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 AAL GAL AAL GAL AAL GAL AAL 1 1
2 GAL AAL GAL AAL GAL AAL 0.728395 0.9
3 AAL GAL AAL GLA 0.728395 0.9
4 AAL GAL AAL GAL 0.728395 0.9
5 AAL GAL AAL GAL AAL GAL AAL GAL 0.677778 0.926829
6 47N 0.506173 0.9
7 AAL GAL 0.506173 0.9
Ligand no: 2; Ligand: AAL GAL AAL GLA; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 AAL GAL AAL GAL 1 1
2 AAL GAL AAL GLA 1 1
3 GAL AAL GAL AAL GAL AAL 1 1
4 AAL GAL AAL GAL AAL GAL AAL GAL 0.858974 0.925
5 AAL GAL 0.731343 1
6 47N 0.731343 1
7 AAL GAL AAL GAL AAL GAL AAL 0.728395 0.9
8 BGC BGC BGC GLC BGC BGC 0.493333 0.891892
9 BGC BGC BGC BGC BGC 0.493333 0.891892
10 BGC BGC BGC 0.493333 0.891892
11 GLC BGC BGC BGC BGC BGC BGC 0.493333 0.891892
12 GLC BGC BGC BGC 0.493333 0.891892
13 BGC BGC BGC ASO BGC BGC ASO 0.493333 0.891892
14 DGS G4S DGS G4S 0.454545 0.705882
15 P3M 0.435294 0.702128
16 MAN GLC 0.426667 0.891892
17 M3M 0.426667 0.891892
18 LB2 0.426667 0.891892
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1URX; Ligand: AAL GAL AAL GLA; Similar sites found: 40
This union binding pocket(no: 1) in the query (biounit: 1urx.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GZW GAL BGC 0.0009828 0.43338 None
2 1W6M GAL 0.0004717 0.43094 None
3 1W6P NDG GAL 0.00111 0.43014 None
4 3OYW TDG 0.00846 0.4185 None
5 4WVW SLT 0.002059 0.44628 2.77778
6 3K4Z CBI 0.01111 0.41209 2.83688
7 4GJY OGA 0.01458 0.40776 2.97872
8 2YMZ LAT 0.002527 0.42694 3.07692
9 4CFT M48 0.01849 0.40482 3.5461
10 2OVW CBI 0.0005088 0.47947 3.90071
11 5GLT BGC GAL NAG GAL 0.002135 0.44909 4.25532
12 1OIJ AKG 0.01741 0.4159 4.25532
13 1VDN ACE ALA ALA PRO ALA MCM 0.01859 0.40345 4.32099
14 5H9Q TD2 0.007578 0.40605 4.51613
15 4IMO PWZ 0.01591 0.40702 4.54545
16 1OJK GLC BGC 0.0003075 0.48369 4.60993
17 1OJJ GLC GAL 0.0003426 0.48141 4.60993
18 2AGC DAO 0.01039 0.40937 4.60993
19 2D6M LBT 0.006297 0.44103 5.03145
20 2WZ5 MET 0.004616 0.42966 5.22876
21 5FUI APY 0.001759 0.45772 5.30303
22 5T7I LAT NAG GAL 0.01895 0.40283 6.45161
23 2OVD DAO 0.009459 0.41883 6.59341
24 5NFB 8VT 0.0119 0.41274 7.38636
25 1U0A BGC BGC BGC BGC 0.001446 0.4271 7.47664
26 2RFY CBI 0.01302 0.4046 7.80142
27 4YLZ LAT NAG GAL 0.002521 0.44847 7.84314
28 3VV1 GAL FUC 0.003796 0.43625 8.125
29 1SLT NDG GAL 0.0163 0.40566 8.20895
30 5H9P TD2 0.01819 0.40182 8.22785
31 3AVR OGA 0.006327 0.42747 9.09091
32 3WDX BGC BGC GLC 0.00009008 0.44856 10.7383
33 5DG2 GAL GLC 0.001676 0.44466 11.8519
34 5TPV TYD 0.01043 0.41625 12.4183
35 4B1M FRU FRU 0.0006268 0.48055 13.5135
36 2QL9 CIT 0.01355 0.41126 14.433
37 4B1L FRU 0.0003916 0.49604 15.1515
38 1ZM1 BGC BGC BGC 0.0003373 0.45468 16.1826
39 4BPZ GLC BGC BGC 0.0000674 0.51568 21.875
40 3B00 16A 0.0004011 0.47198 35.2941
Pocket No.: 2; Query (leader) PDB : 1URX; Ligand: AAL GAL AAL GAL AAL GAL AAL; Similar sites found: 2
This union binding pocket(no: 2) in the query (biounit: 1urx.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1U25 IHS 0.02049 0.40749 2.12766
2 4YLZ LAT NAG GAL 0.004921 0.43003 7.84314
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